CID 9588709

Brn 4899859

Structural Information

Molecular Formula
C40H32ClN7O2S
SMILES
C1CN(CCN1CN2C3=CC=CC=C3/C(=N\C4=NC(=C(S4)N=NC5=CC=C(C=C5)OC6=CC=C(C=C6)Cl)C7=CC=CC=C7)/C2=O)C8=CC=CC=C8
InChI
InChI=1S/C40H32ClN7O2S/c41-29-15-19-32(20-16-29)50-33-21-17-30(18-22-33)44-45-38-36(28-9-3-1-4-10-28)42-40(51-38)43-37-34-13-7-8-14-35(34)48(39(37)49)27-46-23-25-47(26-24-46)31-11-5-2-6-12-31/h1-22H,23-27H2/b43-37+,45-44?
InChIKey
OQLXFKBGDPXIKQ-MPRUXXAISA-N
Compound name
(3E)-3-[[5-[[4-(4-chlorophenoxy)phenyl]diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]-1-[(4-phenylpiperazin-1-yl)methyl]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

709.2027 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 710.20998 261.8
[M+Na]+ 732.19192 266.9
[M-H]- 708.19542 280.7
[M+NH4]+ 727.23652 259.7
[M+K]+ 748.16586 257.6
[M+H-H2O]+ 692.19996 245.6
[M+HCOO]- 754.20090 272.0
[M+CH3COO]- 768.21655 265.4
[M+Na-2H]- 730.17737 257.3
[M]+ 709.20215 264.5
[M]- 709.20325 264.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.